CID 3053223

Brn 2971864

Structural Information

Molecular Formula
C14H16O2
SMILES
C1CC(=CC(=O)C1)C2=CC=C(C=C2)CCO
InChI
InChI=1S/C14H16O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,15H,1-3,8-9H2
InChIKey
QELRNTTXSCYKQU-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.12232 149.2
[M+Na]+ 239.10426 162.8
[M+NH4]+ 234.14886 158.1
[M+K]+ 255.07820 155.0
[M-H]- 215.10776 153.4
[M+Na-2H]- 237.08971 157.2
[M]+ 216.11449 152.3
[M]- 216.11559 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.